IFLab1_001441
TL;DR: IFLab1_001441 (CAS 313471-40-8) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-methyl-2-(pyrrolidin-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Also Known As: IFLab1_001441, EiM07-14491, 3-hydroxy-4-methyl-2-(pyrrolidin-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one, 3-hydroxy-4-methyl-2-(pyrrolidin-1-ylmethyl)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one, 3-hydroxy-4-methyl-2-(pyrrolidinomethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.28162 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 815.70013 |
Chemical Identifiers
| CAS Number | 313471-40-8 |
|---|---|
| SMILES | CC1=C(C(=CC2=C1OC(=O)C3=C2CCCC3)CN4CCCC4)O |
Product Overview
IFLab1_001441 (CAS 313471-40-8), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: 3-hydroxy-4-methyl-2-(pyrrolidin-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
Chemical Property Profile of IFLab1_001441
Property Insights of IFLab1_001441
The XLogP value of 3.28162 indicates that IFLab1_001441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.68 Ų, IFLab1_001441 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_001441 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_001441?
The CAS number of IFLab1_001441 is 313471-40-8.
What is the molecular formula of IFLab1_001441?
The molecular formula of IFLab1_001441 is C19H23NO3.
What is the molecular weight of IFLab1_001441?
The molecular weight of IFLab1_001441 is 313.17 g/mol.
Where can I buy IFLab1_001441?
You can request a quote for IFLab1_001441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001441?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.